2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
Formula:C21H17N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline |
| MolecularFormula | C21H17N2OCl |
| Smiles | Clc(cccc1)c1N/N=C(\C1)/c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C21H17ClN2O/c22-17-11-5-6-12-18(17)23-24-19-14-21(15-8-2-1-3-9-15)25-20-13-7-4-10-16(19)20/h1-13,21,23H,14H2/t21-/m1/s1 |
| InChIK | NANXJBPVUSQAFU-OAQYLSRUSA-N |
| TotalMolweight | 348.832 |
| Molweight | 348.832 |
| MonoisotopicMass | 348.10294 |
| CLogP | 7.0468 |
| CLogS | -5.473 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.39 |
| Relative PSA | 0.12423 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 1.4937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - 2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline | 2 - 2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
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